Functions

Problem:
What parameter allows monitoring the membrane permeabilization state and how is it used?

Answer:
The key parameter for monitoring the membrane permeabilization state is the dipole moment. By observing the behavior of the z-axis component of the membrane dipole moment, PzDMPC, and the angle between the membrane dipole vector and the z-axis, ΘzDMPC, we observe a drastic change as membrane permeabilization occurs.
Additionally, we identify the time at which the first molecules of water enter the interior of the membrane, marking the beginning of permeabilization (tp). These values were plotted with respect to the magnitude of the electric field.

Def variables avg dipole

Plot the behavior of the z-component of the membrane dipole moment and visualize the snapshots of the simulations.

Snapshot at tp and at the end of the simulation of the system consisting of water and the bilayer.

Compare P_DMPC and Pw of D8CVr

DIPOle momentum of peptides